CID 177423346

C9H13ClO — CID 177423346

IUPAC—
SMILESCl[C]OC12CCC(CC1)CC2
InChIInChI=1S/C9H13ClO/c10-7-11-9-4-1-8(2-5-9)3-6-9/h8H,1-6H2
InChIKeyZRUKCAATXTXBSS-UHFFFAOYSA-N
MW172.65 g/mol
LogP2.96
Rot. Bonds2

About CID 177423346

CID 177423346 (PubChem CID 177423346) has the molecular formula C9H13ClO and a molecular weight of 172.65 g/mol.

Molecular Properties

Compound NameCID 177423346
PubChem CID177423346
Molecular FormulaC9H13ClO
Molecular Weight172.65 g/mol
Exact Mass172.07
IUPAC Name—
SMILESCl[C]OC12CCC(CC1)CC2
InChIInChI=1S/C9H13ClO/c10-7-11-9-4-1-8(2-5-9)3-6-9/h8H,1-6H2
InChIKeyZRUKCAATXTXBSS-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.65
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-bicyclo[2.2.2]octanyl)bicyclo[2.2.2]octane
CID 13184607
acetic acid;1-bicyclo[2.2.2]octanyl acetate
CID 70587796
1-(1-bicyclo[2.2.2]octanyl)-4-(methoxymethoxy)bicyclo[2.2.2]octane
CID 10333803
bicyclo[2.2.2]octan-1-amine
CID 550214
bicyclo[2.2.2]octan-1-olate
CID 101218368
1-bicyclo[3.3.2]decanyl acetate
CID 14119621
bis(1-bicyclo[2.2.1]heptanyloxy)-diimino-λ6-sulfane
CID 87475209
1-bicyclo[2.2.1]heptanyloxy-dihydroxy-imino-λ5-phosphane
CID 68501514
1-bicyclo[2.2.1]heptanyloxyarsinic acid
CID 154427418
1-bicyclo[3.3.2]decanyl prop-2-enoate
CID 164546503
bicyclo[2.2.2]octane
CID 9235
1-bicyclo[2.2.1]heptanyl N-(1-bicyclo[2.2.1]heptanyloxycarbonyl)carbamate
CID 68502130

Frequently Asked Questions

What is the IUPAC name of CID 177423346?
The IUPAC name of CID 177423346 (CID 177423346) is not available.
What is the SMILES notation for CID 177423346?
The canonical SMILES for CID 177423346 is Cl[C]OC12CCC(CC1)CC2.
What is the InChIKey of CID 177423346?
The InChIKey is ZRUKCAATXTXBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClO/c10-7-11-9-4-1-8(2-5-9)3-6-9/h8H,1-6H2.
What are the key properties of CID 177423346?
CID 177423346 has a molecular weight of 172.65 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177423346 is sourced from PubChem (CID 177423346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).